cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+)

C19H28FeO3Si — CID 170995244

IUPACcyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+)
SMILESC/C=C(\[c-]1cccc1)[Si](OCC)(OCC)OCC.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C14H23O3Si.C5H5.Fe/c1-5-14(13-11-9-10-12-13)18(15-6-2,16-7-3)17-8-4;1-2-4-5-3-1;/h5,9-12H,6-8H2,1-4H3;1-5H;/q2*-1;+2/b14-5+;;
InChIKeyMIHKEEKQNFGUGQ-UPWXDAOZSA-N
MW388.36 g/mol
LogP4.80
Rot. Bonds8

About cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+)

cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+) (PubChem CID 170995244) has the molecular formula C19H28FeO3Si and a molecular weight of 388.36 g/mol. Its IUPAC name is cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+)
PubChem CID170995244
Molecular FormulaC19H28FeO3Si
Molecular Weight388.36 g/mol
Exact Mass388.12
IUPAC Namecyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+)
SMILESC/C=C(\[c-]1cccc1)[Si](OCC)(OCC)OCC.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C14H23O3Si.C5H5.Fe/c1-5-14(13-11-9-10-12-13)18(15-6-2,16-7-3)17-8-4;1-2-4-5-3-1;/h5,9-12H,6-8H2,1-4H3;1-5H;/q2*-1;+2/b14-5+;;
InChIKeyMIHKEEKQNFGUGQ-UPWXDAOZSA-N
XLogP4.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+) with MolForge

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Related Compounds

cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+)
CID 170995252
cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)
CID 15776323
cyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene
CID 161401239
cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-ylethylidenehydrazine;iron(2+)
CID 170553060
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)
CID 157273131
cyclopenta-1,3-diene;cyclopenta-2,4-diene-1-carbaldehyde;ruthenium(2+)
CID 15809045
bis(cyclopenta-1,3-diene);iron(2+);palladium(2+)
CID 175701268
cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+)
CID 15807877
cyclopenta-1,3-diene;cyclopentane;ethyl prop-2-enoate;iron
CID 88780603
1,5-bis(but-1-enyl)cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 169087262
triethoxy(1-triethoxysilylbut-1-enyl)silane
CID 170548770
cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine;zirconium(4+);dichloride
CID 159810110

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+) (CID 170995244) is cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+) is C/C=C(\[c-]1cccc1)[Si](OCC)(OCC)OCC.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+)?
The InChIKey is MIHKEEKQNFGUGQ-UPWXDAOZSA-N. The full InChI is InChI=1S/C14H23O3Si.C5H5.Fe/c1-5-14(13-11-9-10-12-13)18(15-6-2,16-7-3)17-8-4;1-2-4-5-3-1;/h5,9-12H,6-8H2,1-4H3;1-5H;/q2*-1;+2/b14-5+;;.
What are the key properties of cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+)?
cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+) has a molecular weight of 388.36 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+) is sourced from PubChem (CID 170995244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).